8.22296

Phenol

for synthesis

• Synonym(s): Hydroxybenzene, Carbolic acid, Hydroxybenzene
• Linear Formula: C₆H₅OH
• CAS Number: 108-95-2
• Molecular Weight: 94.11
• Beilstein/REAXYS Number: 969616
• MDL number: MFCD00002143
• UNSPSC Code: 12352104
• EC Index Number: 203-632-7
• NACRES: NA.22

Properties

• vapor density: 3.24 (vs air)
• Quality Level: 200
• vapor pressure: 0.09 psi ( 55 °C); 0.36 mmHg ( 20 °C)
• assay: ≥99% (GC)
• form: crystalline solid
• autoignition temp.: 1319 °F
• potency: 660 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 8.6 %
• pH: 5 (20 °C, 50 g/L in H₂O)
• bp: 182 °C (lit.)
• mp: 40-42 °C (lit.)
• transition temp: flash point 81 °C
• solubility: 84 g/L
• density: 1.071 g/mL at 25 °C (lit.)
• bulk density: 620 kg/m³
• storage temp.: 2-30°C
• SMILES string: Oc1ccccc1
• InChI: 1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
• InChI key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Description

Application

• Catalytic asymmetric dearomatization (CADA) reactions of phenol and aniline derivatives: This review highlights the use of phenols in catalytic asymmetric dearomatization, presenting the latest advancements in this field. (WT Wu, L Zhang, SL You - Chemical Society Reviews, 2016 - rsc.org).
• External oxidant-free electrooxidative annulation between phenol and indole derivatives: Explores the electrooxidative coupling of phenols and indoles in the presence of various substituents, highlighting the method′s efficiency without external oxidants. (K Liu, S Tang, P Huang, A Lei - Nature Communications, 2017 - nature.com).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 39 °C
Melting range (upper value): ≤ 43 °C
Identity (IR): passes test
Protect from light. Any pink discoloration that might result from oxidation during storage generally does not affect the quality of the product.

Safety Information

• pictograms: GHS06,GHS08,GHS05,GHS09
• signalword: Danger
• hcodes: H301 + H311 + H331,H314,H341,H373,H411
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Muta. 2 - Skin Corr. 1B - STOT RE 2
• target_organs: Nervous system,Kidney,Liver,Skin
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 2
• flash_point_f: 177.8 °F - closed cup
• flash_point_c: 81 °C - closed cup